2,3-dinitrosopropan-1-amine

C3H7N3O2 — CID 122544163

IUPAC2,3-dinitrosopropan-1-amine
SMILESNCC(CN=O)N=O
InChIInChI=1S/C3H7N3O2/c4-1-3(6-8)2-5-7/h3H,1-2,4H2
InChIKeyDDKNJCHAQOYUFM-UHFFFAOYSA-N
MW117.11 g/mol
LogP-0.15
Rot. Bonds4

About 2,3-dinitrosopropan-1-amine

2,3-dinitrosopropan-1-amine (PubChem CID 122544163) has the molecular formula C3H7N3O2 and a molecular weight of 117.11 g/mol. Its IUPAC name is 2,3-dinitrosopropan-1-amine.

Molecular Properties

Compound Name2,3-dinitrosopropan-1-amine
PubChem CID122544163
Molecular FormulaC3H7N3O2
Molecular Weight117.11 g/mol
Exact Mass117.05
IUPAC Name2,3-dinitrosopropan-1-amine
SMILESNCC(CN=O)N=O
InChIInChI=1S/C3H7N3O2/c4-1-3(6-8)2-5-7/h3H,1-2,4H2
InChIKeyDDKNJCHAQOYUFM-UHFFFAOYSA-N
XLogP-0.15
TPSA84.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.11
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dinitrosopropan-1-amine?
The IUPAC name of 2,3-dinitrosopropan-1-amine (CID 122544163) is 2,3-dinitrosopropan-1-amine.
What is the SMILES notation for 2,3-dinitrosopropan-1-amine?
The canonical SMILES for 2,3-dinitrosopropan-1-amine is NCC(CN=O)N=O.
What is the InChIKey of 2,3-dinitrosopropan-1-amine?
The InChIKey is DDKNJCHAQOYUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N3O2/c4-1-3(6-8)2-5-7/h3H,1-2,4H2.
What are the key properties of 2,3-dinitrosopropan-1-amine?
2,3-dinitrosopropan-1-amine has a molecular weight of 117.11 g/mol, XLogP of -0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dinitrosopropan-1-amine is sourced from PubChem (CID 122544163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).